CID 155821657

Rac-(3r,4r)-4-(hydroxymethyl)piperidine-3,4-diol hydrochloride

Structural Information

Molecular Formula
C6H13NO3
SMILES
C1CNC[C@@H]([C@]1(CO)O)O
InChI
InChI=1S/C6H13NO3/c8-4-6(10)1-2-7-3-5(6)9/h5,7-10H,1-4H2/t5-,6-/m0/s1
InChIKey
FCOKUPOYVWCZEG-WDSKDSINSA-N
Compound name
(3S,4S)-4-(hydroxymethyl)piperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.08954 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.096816 132.5
[M+Na]+ 170.078758 138.1
[M-H]- 146.082264 129.0
[M+NH4]+ 165.123363 151.5
[M+K]+ 186.052698 135.7
[M+H-H2O]+ 130.086800 128.1
[M+HCOO]- 192.087741 146.9
[M+CH3COO]- 206.103391 162.7
[M+Na-2H]- 168.064206 137.6
[M]+ 147.08899142 125.1
[M]- 147.09008858 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.